4-(cyclopentylmethylsulfanyl)-N'-hydroxy-2,2-dimethylbutanimidamide

C12H24N2OS — CID 77062372

IUPAC4-(cyclopentylmethylsulfanyl)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCSCC1CCCC1)C(N)=NO
InChIInChI=1S/C12H24N2OS/c1-12(2,11(13)14-15)7-8-16-9-10-5-3-4-6-10/h10,15H,3-9H2,1-2H3,(H2,13,14)
InChIKeyRKFAFOKAIUINBW-UHFFFAOYSA-N
MW244.40 g/mol
LogP3.07
Rot. Bonds6

About 4-(cyclopentylmethylsulfanyl)-N'-hydroxy-2,2-dimethylbutanimidamide

4-(cyclopentylmethylsulfanyl)-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77062372) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 4-(cyclopentylmethylsulfanyl)-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(cyclopentylmethylsulfanyl)-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77062372
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name4-(cyclopentylmethylsulfanyl)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCSCC1CCCC1)C(N)=NO
InChIInChI=1S/C12H24N2OS/c1-12(2,11(13)14-15)7-8-16-9-10-5-3-4-6-10/h10,15H,3-9H2,1-2H3,(H2,13,14)
InChIKeyRKFAFOKAIUINBW-UHFFFAOYSA-N
XLogP3.07
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(cyclopentylmethylsulfanyl)-N'-hydroxy-2,2-dimethylbutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(cyclopentylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062172
4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 104864449
4-[cyclopentylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062332
4-tert-butylsulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062368
2-(4-amino-4-hydroxyimino-3,3-dimethylbutyl)sulfanyl-N-cyclopropylacetamide
CID 114233723
5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 106011988
5-(cyclohexylmethoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063177
4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77072429
N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanimidamide
CID 114130997
4-(cyclopentylmethylsulfanyl)-2,2-dimethylbutanenitrile
CID 65256662
4-(cyclopentylmethylsulfanyl)-2-methyl-2-(propylamino)butan-1-ol
CID 64807185
4-(2-cyclopentyloxyethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062104

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethylsulfanyl)-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(cyclopentylmethylsulfanyl)-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77062372) is 4-(cyclopentylmethylsulfanyl)-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(cyclopentylmethylsulfanyl)-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(cyclopentylmethylsulfanyl)-N'-hydroxy-2,2-dimethylbutanimidamide is CC(C)(CCSCC1CCCC1)C(N)=NO.
What is the InChIKey of 4-(cyclopentylmethylsulfanyl)-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is RKFAFOKAIUINBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-12(2,11(13)14-15)7-8-16-9-10-5-3-4-6-10/h10,15H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of 4-(cyclopentylmethylsulfanyl)-N'-hydroxy-2,2-dimethylbutanimidamide?
4-(cyclopentylmethylsulfanyl)-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 244.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethylsulfanyl)-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).